1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

C21H25ClN4 — CID 46954033

IUPAC1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCn1nc(C)c(CN(Cc2ccccn2)Cc2ccccc2Cl)c1C
InChIInChI=1S/C21H25ClN4/c1-4-26-17(3)20(16(2)24-26)15-25(14-19-10-7-8-12-23-19)13-18-9-5-6-11-21(18)22/h5-12H,4,13-15H2,1-3H3
InChIKeyNSWPQCSOBRDRQX-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.77
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 46954033) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID46954033
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCCn1nc(C)c(CN(Cc2ccccn2)Cc2ccccc2Cl)c1C
InChIInChI=1S/C21H25ClN4/c1-4-26-17(3)20(16(2)24-26)15-25(14-19-10-7-8-12-23-19)13-18-9-5-6-11-21(18)22/h5-12H,4,13-15H2,1-3H3
InChIKeyNSWPQCSOBRDRQX-UHFFFAOYSA-N
XLogP4.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 46954033) is 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is CCn1nc(C)c(CN(Cc2ccccn2)Cc2ccccc2Cl)c1C.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is NSWPQCSOBRDRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-4-26-17(3)20(16(2)24-26)15-25(14-19-10-7-8-12-23-19)13-18-9-5-6-11-21(18)22/h5-12H,4,13-15H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 368.91 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 46954033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).